4-bromo-1-fluorobenzo[c]phenanthrene

C18H10BrF — CID 13383951

IUPAC4-bromo-1-fluorobenzo[c]phenanthrene
SMILESFc1ccc(Br)c2ccc3ccc4ccccc4c3c12
InChIInChI=1S/C18H10BrF/c19-15-9-10-16(20)18-14(15)8-7-12-6-5-11-3-1-2-4-13(11)17(12)18/h1-10H
InChIKeyVGHUFTCHEJQSLO-UHFFFAOYSA-N
MW325.18 g/mol
LogP6.05
Rot. Bonds

About 4-bromo-1-fluorobenzo[c]phenanthrene

4-bromo-1-fluorobenzo[c]phenanthrene (PubChem CID 13383951) has the molecular formula C18H10BrF and a molecular weight of 325.18 g/mol. Its IUPAC name is 4-bromo-1-fluorobenzo[c]phenanthrene.

Molecular Properties

Compound Name4-bromo-1-fluorobenzo[c]phenanthrene
PubChem CID13383951
Molecular FormulaC18H10BrF
Molecular Weight325.18 g/mol
Exact Mass323.99
IUPAC Name4-bromo-1-fluorobenzo[c]phenanthrene
SMILESFc1ccc(Br)c2ccc3ccc4ccccc4c3c12
InChIInChI=1S/C18H10BrF/c19-15-9-10-16(20)18-14(15)8-7-12-6-5-11-3-1-2-4-13(11)17(12)18/h1-10H
InChIKeyVGHUFTCHEJQSLO-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.18
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-Bromophenanthrene
CID 11309
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromopyrene
CID 159627
7-(Bromomethyl)benz(a)anthracene
CID 90666
7-(Bromomethyl)-12-methylbenz(a)anthracene
CID 27767
7-Bromobenz(a)anthracene
CID 72849
6-Fluorochrysene
CID 255029
1-Bromo-2-methylnaphthalene
CID 75754
9-Bromo-10-phenyl-anthracene
CID 4155836

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-fluorobenzo[c]phenanthrene?
The IUPAC name of 4-bromo-1-fluorobenzo[c]phenanthrene (CID 13383951) is 4-bromo-1-fluorobenzo[c]phenanthrene.
What is the SMILES notation for 4-bromo-1-fluorobenzo[c]phenanthrene?
The canonical SMILES for 4-bromo-1-fluorobenzo[c]phenanthrene is Fc1ccc(Br)c2ccc3ccc4ccccc4c3c12.
What is the InChIKey of 4-bromo-1-fluorobenzo[c]phenanthrene?
The InChIKey is VGHUFTCHEJQSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrF/c19-15-9-10-16(20)18-14(15)8-7-12-6-5-11-3-1-2-4-13(11)17(12)18/h1-10H.
What are the key properties of 4-bromo-1-fluorobenzo[c]phenanthrene?
4-bromo-1-fluorobenzo[c]phenanthrene has a molecular weight of 325.18 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-fluorobenzo[c]phenanthrene is sourced from PubChem (CID 13383951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).